ethyl 4-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]sulfamoyl]benzoate

C15H22N2O5S — CID 8800833

IUPACethyl 4-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]sulfamoyl]benzoate
SMILESCCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(=O)OCC)cc1
InChIInChI=1S/C15H22N2O5S/c1-4-10-16-14(18)11(3)17-23(20,21)13-8-6-12(7-9-13)15(19)22-5-2/h6-9,11,17H,4-5,10H2,1-3H3,(H,16,18)/t11-/m1/s1
InChIKeyUUHOZTCIDGAORX-LLVKDONJSA-N
MW342.42 g/mol
LogP1.06
Rot. Bonds8

About ethyl 4-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]sulfamoyl]benzoate

ethyl 4-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]sulfamoyl]benzoate (PubChem CID 8800833) has the molecular formula C15H22N2O5S and a molecular weight of 342.42 g/mol. Its IUPAC name is ethyl 4-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]sulfamoyl]benzoate.

Molecular Properties

Compound Nameethyl 4-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]sulfamoyl]benzoate
PubChem CID8800833
Molecular FormulaC15H22N2O5S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Nameethyl 4-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]sulfamoyl]benzoate
SMILESCCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(=O)OCC)cc1
InChIInChI=1S/C15H22N2O5S/c1-4-10-16-14(18)11(3)17-23(20,21)13-8-6-12(7-9-13)15(19)22-5-2/h6-9,11,17H,4-5,10H2,1-3H3,(H,16,18)/t11-/m1/s1
InChIKeyUUHOZTCIDGAORX-LLVKDONJSA-N
XLogP1.06
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-methylphenyl)sulfonylamino]-N-propylpropanamide
CID 5039910
ethyl 4-[[(2R)-2-[(4-bromophenyl)sulfonylamino]propanoyl]amino]benzoate
CID 1007981
ethyl 4-(3-methylbutan-2-ylsulfamoyl)benzoate
CID 51169036
2-[(4-bromophenyl)sulfonylamino]-N-propylpropanamide
CID 4312518
2-[[4-(2-aminoethyl)phenyl]sulfonylamino]-N-propylpropanamide
CID 79185012
(2S,3S)-2-[(4-ethoxycarbonylphenyl)sulfonylamino]-3-methylpentanoic acid
CID 119126274
(2R)-2-[(4-nitrophenyl)sulfonylamino]-N-propylpropanamide
CID 8800730
[(2R)-1-oxo-1-(propylamino)propan-2-yl] 4-[[(2R)-butan-2-yl]sulfamoyl]benzoate
CID 8954891
ethyl 4-(1-aminopentan-2-ylsulfamoyl)benzoate
CID 65192667
ethyl 4-(hydrazinesulfonyl)benzoate
CID 19755145
2-[(4-amino-3-methoxyphenyl)sulfonylamino]-N-propylpropanamide
CID 81440558
(2R)-N-hexyl-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 7230015

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]sulfamoyl]benzoate?
The IUPAC name of ethyl 4-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]sulfamoyl]benzoate (CID 8800833) is ethyl 4-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]sulfamoyl]benzoate.
What is the SMILES notation for ethyl 4-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]sulfamoyl]benzoate?
The canonical SMILES for ethyl 4-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]sulfamoyl]benzoate is CCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(=O)OCC)cc1.
What is the InChIKey of ethyl 4-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]sulfamoyl]benzoate?
The InChIKey is UUHOZTCIDGAORX-LLVKDONJSA-N. The full InChI is InChI=1S/C15H22N2O5S/c1-4-10-16-14(18)11(3)17-23(20,21)13-8-6-12(7-9-13)15(19)22-5-2/h6-9,11,17H,4-5,10H2,1-3H3,(H,16,18)/t11-/m1/s1.
What are the key properties of ethyl 4-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]sulfamoyl]benzoate?
ethyl 4-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]sulfamoyl]benzoate has a molecular weight of 342.42 g/mol, XLogP of 1.06, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]sulfamoyl]benzoate is sourced from PubChem (CID 8800833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).